Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: PTY_A_11(3ZUY) / Model_2(3ZUY/A) = [6.8] Download1817.7044.28MDFNCDLVWMNSMSALLRFTQFVQKTFALWVIIFAALALWQPEFFVWLKAYIPWILGIIMLGMGMTMTVDDFKGVLQSPKAVLIGVVAQFVVMPGLAFILCKLFNLPPEIAVGVILVGCCPGGTASNVITYMAKGNVALSVACTSVSTLLAPVLTPAIFYLLASQWLKIDAASMFISILQVVLLPIVIGLILRTWLKRQVESYIQVMPLVSVIAIVAIVAAIIGGSKAAILQSGLLILAVVILHNGLGYLLGFAAARFFKLPYADSKAIAVEVGMQNSGLGVALAAVHFAASPITAVPSAIFSLWHNISGPALATYWASKHKQE
Consensus
[pKd Mean = 6.80]		-1817
(s=0)		44
(s=0)		MDFNCDLVWMNSMSALLRFTQFVQKTFALWVIIFAALALWQPEFFVWLKAYIPWILGIIMLGMGMTMTVDDFKGVLQSPKAVLIGVVAQFVVMPGLAFILCKLFNLPPEIAVGVILVGCCPGGTASNVITYMAKGNVALSVACTSVSTLLAPVLTPAIFYLLASQWLKIDAASMFISILQVVLLPIVIGLILRTWLKRQVESYIQVMPLVSVIAIVAIVAAIIGGSKAAILQSGLLILAVVILHNGLGYLLGFAAARFFKLPYADSKAIAVEVGMQNSGLGVALAAVHFAASPITAVPSAIFSLWHNISGPALATYWASKHKQE



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ALA239O111[C],
VAL241C111[C],
VAL241O111[C],
ILE242CG2919[C],
ILE242N212[C],
ILE242CD1414[C],
ILE242C818[C],
ILE242CA616[C],
ILE242O10110[C],
ILE242CB616[C],
ILE242CG1616[C],
LEU243N616[C],
LEU243CA414[C],
LEU243CB313[C],
LEU243CD1212[C],
LEU243C414[C],
LEU243CG313[C],
LEU243CD2414[C],
LEU243O515[C],
HIS244N313[C],
HIS244CA212[C],
HIS244C313[C],
HIS244O111[C],
ASN245O818[C],
ASN245OD110110[C],
ASN245CB111[C],
ASN245CA414[C],
ASN245CG515[C],
ASN245C919[C],
ASN245N313[C],
GLY246C1311[O], 12[C],
GLY246N11111[C],
GLY246O1412[O], 12[C],
GLY246CA14113[C], 1[O],
LEU247CD1313[C],
LEU247CA818[C],
LEU247CB616[C],
LEU247CG616[C],
LEU247C818[C],
LEU247N818[C],
LEU247CD2616[C],
LEU247O717[C],
GLY248CA111[C],
GLY248N616[C],
GLY248C615[C], 1[O],
GLY248O514[C], 1[O],
TYR249CA1018[C], 2[O],
TYR249CB18115[C], 3[O],
TYR249CE1711[O], 6[C],
TYR249CE215114[C], 1[O],
TYR249CD219117[C], 2[O],
TYR249CD11012[O], 8[C],
TYR249CZ12111[C], 1[O],
TYR249CG1512[O], 13[C],
TYR249C1213[O], 9[C],
TYR249N1018[C], 2[O],
TYR249O1017[C], 3[O],
LEU250CD11212[O], 10[C],
LEU250CB1119[C], 2[O],
LEU250CG14111[C], 3[O],
LEU250O712[O], 5[C],
LEU250CA1313[O], 10[C],
LEU250C816[C], 2[O],
LEU250CD216113[C], 3[O],
LEU250N12110[C], 2[O],
LEU251N614[C], 2[O],
GLY252N211[C], 1[O],
GLY252C311[C], 2[O],
GLY252CA111[O],
PHE253C412[O], 2[C],
PHE253CD11711[P], 1[N], 7[O], 8[C],
PHE253N513[C], 2[O],
PHE253O111[O],
PHE253CG1611[P], 1[N], 6[O], 8[C],
PHE253CB1411[P], 5[O], 8[C],
PHE253CE11611[N], 1[P], 7[C], 7[O],
PHE253CE21617[C], 7[O], 1[N], 1[P],
PHE253CZ1617[C], 7[O], 1[N], 1[P],
PHE253CA614[C], 2[O],
PHE253CD21611[N], 1[P], 6[O], 8[C],
ALA254N412[O], 2[C],
ARG257CB211[C], 1[N],
ARG257CZ412[C], 1[O], 1[N],
ARG257CG211[C], 1[N],
ARG257CD411[N], 1[O], 2[C],
ARG257NE411[N], 1[O], 2[C],
TYR263O111[O],
TYR263CD2613[O], 2[C], 1[P],
TYR263CG612[C], 3[O], 1[P],
TYR263CD1811[P], 1[N], 4[O], 2[C],
TYR263CE11014[C], 4[O], 1[P], 1[N],
TYR263C111[O],
TYR263CE2711[P], 4[O], 2[C],
TYR263CA111[O],
TYR263CZ911[N], 1[P], 3[C], 4[O],
TYR263CB211[O], 1[C],
SER266CB211[O], 1[C],
SER266OG111[C],
SER266C111[O],
SER266O311[C], 2[O],
LYS267CE111[O],
LYS267CB111[O],
LYS267CD413[O], 1[P],
LYS267NZ111[O],
LYS267CA212[O],
LYS267CG611[P], 5[O],
LYS267N111[O],
LYS267O111[O],
ALA270CB812[O], 6[C],
ALA270O211[C], 1[O],
ALA270C311[C], 2[O],
ALA270CA412[O], 2[C],
ALA270N111[O],
VAL271CG2111[O],
VAL271CA111[O],
VAL271N211[C], 1[O],
TRP305CZ3313[C],
TRP305CD1313[C],
TRP305CG313[C],
TRP305O111[C],
TRP305CE3313[C],
TRP305CE2616[C],
TRP305NE1717[C],
TRP305CD2313[C],
TRP305CZ2717[C],
ILE308C414[C],
ILE308CB111[C],
ILE308CA111[C],
ILE308O515[C],
ILE308CG2212[C],
SER309N515[C],
SER309OG818[C],
SER309CA717[C],
SER309C717[C],
SER309CB10110[C],
SER309O12112[C],
GLY310N414[C],
GLY310CA212[C],
GLY310O212[C],
GLY310C111[C],
PRO311C212[C],
PRO311O111[C],
ALA312CB919[C],
ALA312CA616[C],
ALA312O918[C], 1[O],
ALA312N616[C],
ALA312C717[C],
LEU313C1017[C], 3[O],
LEU313CD22115[O], 16[C],
LEU313CD12411[P], 17[C], 6[O],
LEU313CB20116[C], 4[O],
LEU313N1111[O], 10[C],
LEU313CG21116[C], 5[O],
LEU313CA15112[C], 3[O],
LEU313O1314[O], 9[C],
ALA314N414[C],
THR315C212[C],
THR315N111[C],
TYR316CD11415[O], 8[C], 1[P],
TYR316CG1511[P], 9[C], 5[O],
TYR316C914[O], 4[C], 1[P],
TYR316CB1415[O], 8[C], 1[P],
TYR316CD219110[C], 8[O], 1[P],
TYR316CE219110[C], 8[O], 1[P],
TYR316O814[O], 3[C], 1[P],
TYR316CZ1711[P], 7[O], 9[C],
TYR316CE11411[P], 7[C], 6[O],
TYR316CA615[C], 1[O],
TYR316N615[C], 1[O],
TRP317CE22011[P], 8[O], 11[C],
TRP317CZ31511[P], 5[O], 9[C],
TRP317CD11711[P], 8[O], 8[C],
TRP317O111[O],
TRP317N911[P], 4[O], 4[C],
TRP317NE11911[P], 8[O], 10[C],
TRP317CE31411[P], 6[O], 7[C],
TRP317CZ22011[P], 8[O], 11[C],
TRP317CG1611[P], 8[O], 7[C],
TRP317CA511[C], 3[O], 1[P],
TRP317C111[O],
TRP317CD21611[P], 7[C], 8[O],
TRP317CB511[P], 3[O], 1[C],
Total = 182



Download csv file of statistical distribution of contacts